2-[[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one

C18H19FN4O2 — CID 95712652

IUPAC2-[[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)cc1=O
InChIInChI=1S/C18H19FN4O2/c1-25-17-9-20-12(8-16(17)24)10-23-6-2-3-15(23)18-21-13-5-4-11(19)7-14(13)22-18/h4-5,7-9,15H,2-3,6,10H2,1H3,(H,20,24)(H,21,22)/t15-/m0/s1
InChIKeyGCTPAIDLOBSNMR-HNNXBMFYSA-N
MW342.37 g/mol
LogP2.74
Rot. Bonds4

About 2-[[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one

2-[[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one (PubChem CID 95712652) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one
PubChem CID95712652
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name2-[[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)cc1=O
InChIInChI=1S/C18H19FN4O2/c1-25-17-9-20-12(8-16(17)24)10-23-6-2-3-15(23)18-21-13-5-4-11(19)7-14(13)22-18/h4-5,7-9,15H,2-3,6,10H2,1H3,(H,20,24)(H,21,22)/t15-/m0/s1
InChIKeyGCTPAIDLOBSNMR-HNNXBMFYSA-N
XLogP2.74
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole
CID 70716486
5-[[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 95718553
5-[[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 95709426
[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70776944
2-(azepan-1-yl)-1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95206662
2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole
CID 124752580
3-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 56900944
2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 97138643
1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 70727782
5-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 146024832
2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol
CID 77082878
[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 95893997

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-[[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one (CID 95712652) is 2-[[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-[[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-[[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one is COc1c[nH]c(CN2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)cc1=O.
What is the InChIKey of 2-[[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one?
The InChIKey is GCTPAIDLOBSNMR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-25-17-9-20-12(8-16(17)24)10-23-6-2-3-15(23)18-21-13-5-4-11(19)7-14(13)22-18/h4-5,7-9,15H,2-3,6,10H2,1H3,(H,20,24)(H,21,22)/t15-/m0/s1.
What are the key properties of 2-[[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one?
2-[[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one has a molecular weight of 342.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 95712652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).